6-[5-[5-(2-butylsulfinyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine

C33H29N5O3S5 — CID 130295902

IUPAC6-[5-[5-(2-butylsulfinyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine
SMILESCCCCS(=O)c1nc2ccc(-c3cc(-c4cnc(-c5cc(-c6ccccc6)c6c(N)c(S(=O)C(C)C)sc6n5)o4)cs3)nc2s1
InChIInChI=1S/C33H29N5O3S5/c1-4-5-13-45(39)33-38-23-12-11-22(36-30(23)44-33)26-14-20(17-42-26)25-16-35-29(41-25)24-15-21(19-9-7-6-8-10-19)27-28(34)32(43-31(27)37-24)46(40)18(2)3/h6-12,14-18H,4-5,13,34H2,1-3H3
InChIKeyBVLFCAJAOFVFOZ-UHFFFAOYSA-N
MW703.96 g/mol
LogP9.02
Rot. Bonds10

About 6-[5-[5-(2-butylsulfinyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine

6-[5-[5-(2-butylsulfinyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine (PubChem CID 130295902) has the molecular formula C33H29N5O3S5 and a molecular weight of 703.96 g/mol. Its IUPAC name is 6-[5-[5-(2-butylsulfinyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name6-[5-[5-(2-butylsulfinyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine
PubChem CID130295902
Molecular FormulaC33H29N5O3S5
Molecular Weight703.96 g/mol
Exact Mass703.09
IUPAC Name6-[5-[5-(2-butylsulfinyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine
SMILESCCCCS(=O)c1nc2ccc(-c3cc(-c4cnc(-c5cc(-c6ccccc6)c6c(N)c(S(=O)C(C)C)sc6n5)o4)cs3)nc2s1
InChIInChI=1S/C33H29N5O3S5/c1-4-5-13-45(39)33-38-23-12-11-22(36-30(23)44-33)26-14-20(17-42-26)25-16-35-29(41-25)24-15-21(19-9-7-6-8-10-19)27-28(34)32(43-31(27)37-24)46(40)18(2)3/h6-12,14-18H,4-5,13,34H2,1-3H3
InChIKeyBVLFCAJAOFVFOZ-UHFFFAOYSA-N
XLogP9.02
TPSA124.86 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500703.96
LogP ≤ 59.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-[5-[5-(2-butylsulfinyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[5-(2-butylsulfinyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 6-[5-[5-(2-butylsulfinyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine (CID 130295902) is 6-[5-[5-(2-butylsulfinyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 6-[5-[5-(2-butylsulfinyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 6-[5-[5-(2-butylsulfinyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine is CCCCS(=O)c1nc2ccc(-c3cc(-c4cnc(-c5cc(-c6ccccc6)c6c(N)c(S(=O)C(C)C)sc6n5)o4)cs3)nc2s1.
What is the InChIKey of 6-[5-[5-(2-butylsulfinyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine?
The InChIKey is BVLFCAJAOFVFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N5O3S5/c1-4-5-13-45(39)33-38-23-12-11-22(36-30(23)44-33)26-14-20(17-42-26)25-16-35-29(41-25)24-15-21(19-9-7-6-8-10-19)27-28(34)32(43-31(27)37-24)46(40)18(2)3/h6-12,14-18H,4-5,13,34H2,1-3H3.
What are the key properties of 6-[5-[5-(2-butylsulfinyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine?
6-[5-[5-(2-butylsulfinyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine has a molecular weight of 703.96 g/mol, XLogP of 9.02, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[5-(2-butylsulfinyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 130295902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).